methyl 2-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)benzoate
methyl 2-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | E632-0271 |
| Compound Name: | methyl 2-({4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | COC(c1ccccc1NC(N1CCC(CC1)CN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.171 |
| logD: | 2.5603 |
| logSw: | -4.224 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.578 |
| InChI Key: | CDAOVCJYXDJVJK-UHFFFAOYSA-N |